CID 43251711

874841-91-5

Structural Information

Molecular Formula
C12H25N3O2
SMILES
CC(C)(C)OC(=O)N1CCCN(CC1)CCN
InChI
InChI=1S/C12H25N3O2/c1-12(2,3)17-11(16)15-7-4-6-14(8-5-13)9-10-15/h4-10,13H2,1-3H3
InChIKey
KCRLSEQCDXGSGE-UHFFFAOYSA-N
Compound name
tert-butyl 4-(2-aminoethyl)-1,4-diazepane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.19467 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.20195 155.2
[M+Na]+ 266.18389 157.4
[M-H]- 242.18739 155.9
[M+NH4]+ 261.22849 168.6
[M+K]+ 282.15783 161.2
[M+H-H2O]+ 226.19193 146.9
[M+HCOO]- 288.19287 169.9
[M+CH3COO]- 302.20852 195.6
[M+Na-2H]- 264.16934 157.1
[M]+ 243.19412 149.4
[M]- 243.19522 149.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.